The decomposition of unconfined rigid polyurethane foam has been modeled by a kinetic bond-breaking scheme describing degradation of a primary polymer and formation of a thermally stable secondary polymer. The bond-breaking scheme is resolved using percolation theory to describe evolving polymer fragments. The polymer fragments vaporize according to individual vapor pressures. Kinetic parameters for the model were obtained from Thermal Gravimetric Analysis (TGA). The chemical structure of the foam was determined from the preparation techniques and ingredients used to synthesize the foam. Scale-up effects were investigated by simulating the response of an incident heat flux of 25 W/cm{sup 2} on a partially confined 8.8-cm diameter by 15-cm long right circular cylinder of foam which contained an encapsulated component. Predictions of center, midradial, and component temperatures, as well as regression of the foam surface, were in agreement with measurements using thermocouples and X-ray imaging.
Experience has shown that the analyses of marine transport of spent fuel in the Environmental Impact Statement (EIS) were conservative. It is anticipated that for most shipments. The external dose rate for the loaded transportation cask will be more in line with recent shipments. At the radiation levels associated with these shipments, we would not expect any personnel to exceed radiation exposure limits for the public. Package dose rates usually well below the regulatory limits and personnel work practices following ALARA principles are keeping human exposures to minimal levels. However, the potential for Mure shipments with external dose rates closer to the exclusive-use regulatory limit suggests that DOE should continue to provide a means to assure that individual crew members do not receive doses in excess of the public dose limits. As a minimum, the program will monitor cask dose rates and continue to implement administrative procedures that will maintain records of the dose rates associated with each shipment, the vessel used, and the crew list for the vessel. DOE will continue to include a clause in the contract for shipment of the foreign research reactor spent nuclear fuel requiring that the Mitigation Action Plan be followed.
As model validation techniques gain more acceptance and increase in power, the demands on the modal parameter extractions increase. The estimation accuracy, the number of modes desired, and the data reduction efficiency are required features. An algorithm known as SMAC (Synthesize Modes And Correlate), based on principles of modal filtering, has been in development for a few years. SMAC has now been extended in two main areas. First, it has now been automated. Second, it has been extended to fit complex modes as well as real modes. These extensions have enhanced the power of modal extraction so that, typically, the analyst needs to manually fit only 10 percent of the modes in the desired bandwidth, whereas the automated routines will fit 90 percent of the modes. SMAC could be successfully automated because it generally does not produce computational roots.
Direct metal deposition technologies produce complex, near net shape components from Computer Aided Design (CAD) solid models. Most of these techniques fabricate a component by melting powder in a laser weld pool, rastering the weld bead to form a layer, and additively constructing subsequent layers. This report will describe anew direct metal deposition process, known as WireFeed, whereby a small diameter wire is used instead of powder as the feed material to fabricate components. Currently, parts are being fabricated from stainless steel alloys. Microscopy studies show the WireFeed parts to be filly dense with fine microstructural features. Mechanical tests show stainless steel parts to have high strength values with retained ductility. A model was developed to simulate the microstructural evolution and coarsening during the WireFeed process. Simulations demonstrate the importance of knowing the temperature distribution during fabrication of a WireFeed part. The temperature distribution influences microstructural evolution and, therefore, must be controlled to tailor the microstructure for optimal performance.
Development of bug-free, high-surety, complex software is quite difficult using current tools. The brittle nature of the programming constructs in popular languages such as C/C++ is one root cause. Brittle commands force the designer to rigidly specify the minutiae of tasks, e.g. using ''for(index=0;index>total;index++)'', rather than specifying the goals or intent of the tasks, e.g. ''ensure that all relevant data elements have been examined''. Specification of task minutiae makes code hard to comprehend, which in turn encourages design errors/limitations and makes future modifications quite difficult. This report describes an LDRD project to seed the development of a surety computer language, for stand-alone computing environments, to be implemented using the swarm intelligence of autonomous agents. The long term vision of this project was to develop a language with the following surety capabilities: (1) Reliability -- Autonomous agents can appropriate y decide when to act and when a task is complete, provide a natural means for avoiding brittle task specifications, and can overcome many hardware glitches. (2) Safety, security -- Watchdog safety and security agents can monitor other agents to prevent unauthorized or dangerous actions. (3) An immune system -- The small chunks of agent code can have an encryption scheme to enable detection and elimination of unauthorized and corrupted agents. This report describes the progress achieved during this small 9 month project and describes lessons learned.
Current supercomputers use large parallel arrays of tightly coupled processors to achieve levels of performance far surpassing conventional vector supercomputers. Shock-wave physics codes have been developed for these new supercomputers at Sandia National Laboratories and elsewhere. These parallel codes run fast enough on many simulations to consider using them to study the effects of varying design parameters on the performance of models of conventional munitions and other complex systems. Such studies maybe directed by optimization software to improve the performance of the modeled system. Using a shaped-charge jet design as an archetypal test case and the CTH parallel shock-wave physics code controlled by the Dakota optimization software, we explored the use of automatic optimization tools to optimize the design for conventional munitions. We used a scheme in which a lower resolution computational mesh was used to identify candidate optimal solutions and then these were verified using a higher resolution mesh. We identified three optimal solutions for the model and a region of the design domain where the jet tip speed is nearly optimal, indicating the possibility of a robust design. Based on this study we identified some of the difficulties in using high-fidelity models with optimization software to develop improved designs. These include developing robust algorithms for the objective function and constraints and mitigating the effects of numerical noise in them. We conclude that optimization software running high-fidelity models of physical systems using parallel shock wave physics codes to find improved designs can be a valuable tool for designers. While current state of algorithm and software development does not permit routine, ''black box'' optimization of designs, the effort involved in using the existing tools may well be worth the improvement achieved in designs.
This report documents the use of the FITS routine, which provides automated fits of various analytical, commonly used probability models from input data. It is intended to complement the previously distributed FITTING routine documented in RMS Report 14 (Winterstein et al., 1994), which implements relatively complex four-moment distribution models whose parameters are fit with numerical optimization routines. Although these four-moment fits can be quite useful and faithful to the observed data, their complexity can make them difficult to automate within standard fitting algorithms. In contrast, FITS provides more robust (lower moment) fits of simpler, more conventional distribution forms. For each database of interest, the routine estimates the distribution of annual maximum response based on the data values and the duration, T, over which they were recorded. To focus on the upper tails of interest, the user can also supply an arbitrary lower-bound threshold, {chi}{sub low}, above which a shifted distribution model--exponential or Weibull--is fit.
Path integral Monte Carlo simulations and calculations were performed on molecular hydrogen liquids. The equation-of-state, internal energies, and vapor liquid phase diagrams from simulation were found to be in quantitative agreement with experiments. Analytical calculations were performed on,H2 liquids using integral equation methods to study the degree of localization of the hydrogen molecules. Very little self-trapping or localization was found as a function of temperature and density. Good qualitative agreement was found between the integral equation calculations and the quantum Monte Carlo simulations for the radius of gyration of the hydrogen molecules. Path integral simulations were also performed on molecular hydrogen on graphite surfaces, slit pores, and in carbon nanotubes. Significant quantum effects on the adsorption of hydrogen were observed.
Thermionic energy conversion in a microminiature format shows potential as a viable, high efficiency, on-chip power source. Microminiature thermionic converters (MTC) with inter-electrode spacings on the order of microns are currently being prototyped and evaluated at Sandia. The remaining enabling technology is the development of low work function materials and processes than can be integrated into these converters. In this report, the authors demonstrate a method of incorporating thin film emitters into converters using rf sputtering. They find that the resultant films possess a minimum work function of 1.2 eV. Practical energy conversion is hindered by surface work function non-uniformity. They postulate the source of this heterogeneity to be a result of limited bulk and surface transport of barium. Several methods are proposed for maximizing transport, including increased film porosity and the use of metal terminating layers. They demonstrate a novel method for incorporating film porosity based on metal interlayer coalescence.
Monolithic, integrated acoustic wave chemical microsensors are being developed on gallium arsenide (GaAs) substrates. With this approach, arrays of microsensors and the high frequency electronic components needed to operate them reside on a single substrate, increasing the range of detectable analytes, reducing overall system size, minimizing systematic errors, and simplifying assembly and packaging. GaAs is employed because it is both piezoelectric, a property required to produce the acoustic wave devices, and a semiconductor with a mature microelectronics fabrication technology. Many aspects of integrated GaAs chemical sensors have been investigated, including: surface acoustic wave (SAW) sensors; monolithic SAW delay line oscillators; GaAs application specific integrated circuits (ASIC) for sensor operation; a hybrid sensor array utilizing these ASICS; and the fully monolithic, integrated SAW array. Details of the design, fabrication, and performance of these devices are discussed. In addition, the ability to produce heteroepitaxial layers of GaAs and aluminum gallium arsenide (AlGaAs) makes possible micromachined membrane sensors with improved sensitivity compared to conventional SAW sensors. Micromachining techniques for fabricating flexural plate wave (FPW) and thickness shear mode (TSM) microsensors on thin GaAs membranes are presented and GaAs FPW delay line and TSM resonator performance is described.
Inductive energy storage systems can have high energy density, lending to smaller, less expensive systems. The crucial element of an inductive energy storage system is the opening switch. This switch must conduct current while energy is stored in an inductor, then open quickly to transfer this energy to a load. Plasma can perform this function. The Plasma Opening Switch (POS) has been studied for more than two decades. Success with the conventional plasma opening switch has been limited. A system designed to significantly improve the performance of vacuum opening switches is described in this paper. The gap cleared of plasma is a rough figure-of-merit for vacuum opening switches. Typical opened gaps of 3 mm are reported for conventional switches. The goal for the system described in this paper is more than 3 cm. To achieve this, the command-triggered POS adds an active opening mechanism, which allows complete separation of conduction and opening. This separation is advantageous because of the widely different time scales of conduction and opening. The detrimental process of magnetic field penetration into the plasma during conduction is less important in this switch. The opening mechanism duration is much shorter than the conduction time, so penetration during opening is insignificant. Opening is accomplished with a fast magnetic field that pushes plasma out of the switch region. Plasma must be removed from the switch region to allow high voltage. This paper describes some processes important during conduction and opening, and show calculations on the trigger requirements. The design of the switch is shown. This system is designed to demonstrate both improved performance and nanosecond output jitter at levels greater than one terawatt. An amplification mechanism is described which reduces the trigger energy. Particle-in-cell simulations of the system are also shown.
Simple tangent, hard site chains near a hard wall are modeled with a Density Functional (DF) theory that uses the direct correlation function, c(r), as its ''input''. Two aspects of this DF theory are focused upon: (1) the consequences of variations in c(r)'s detailed form; and (2) the correct way to introduce c(r) into the DF formalism. The most important aspect of c(r) is found to be its integrated value, {cflx c}(0). Indeed, it appears that, for fixed {cflx c}(0), all reasonable guesses of the detailed shape of c(r) result in surprisingly similar density distributions, {rho}(r). Of course, the more accurate the c(r), the better the {rho}(r). As long as the length scale introduced by c(r) is roughly the hard site diameter and as long as the solution remains liquid-like, the {rho}(r) is found to be in good agreement with simulation results. The c(r) is used in DF theory to calculate the medium-induced-potential, U{sub M}(r) from the density distribution, {rho}(r). The form of U{sub M}(r) can be chosen to be one of a number of different forms. It is found that the forms for U{sub M}(r), which yield the most accurate results for the wall problem, are also those which were suggested as accurate in previous, related studies.
Solid freeform fabrication is the near-net-shape manufacturing of components by sequentially stacking thin layers of material until complicated three dimensional shapes are produced. The operation is computer controlled and requires no molds. This exciting new field of technology provides engineers with the ability to rapidly produce prototype parts directly from CAD drawings and oftentimes little or no machining is necessary after fabrication. Techniques for freeform fabrication with several types of plastics and metals are already quite advanced and maybe reviewed in references 1 and 2. Very complicated plastic models can be fabricated by stereolithography, selective laser sintering, fused deposition modeling, or three-dimensional ink jet printing. Metals may be freeformed by the LENS{trademark} technique and porous ceramic bodies by three dimensional printing into a porous powder bed. However, methods for freeform fabrication that utilize particulate slurries to build dense ceramics and composites are not as well developed. The techniques that are being developed for the freeform fabrication of dense structural ceramics primarily revolve around the sequential layering of ceramic loaded polymers or waxes. Laminated Object Manufacturing and CAM-LEM processing use controlled stacking and laser cutting of ceramic tapes [2,3]. Similar to fused deposition modeling, ceramic loaded polymer/wax filaments are being used for the fused deposition of ceramics [2,4]. Extrusion freeform fabrication uses high pressure extrusion to deposit layers of ceramic loaded polymer/wax systems[1]. Modified stereolithographic techniques are also being developed using ceramic loaded ultraviolet curable resins [2]. Pre-sintered parts made with any of these techniques typically have 40-55 vol.% polymeric binder. In this regard, these techniques are analogous to powder injection molding of ceramics. Very long and complicated burnout heat treatments are necessary to produce a dense ceramic, free of organics. Heating rates of 0.2 degrees Celsius per minute are common. [5] Thus, while a part maybe rapidly prototype within a few hours, it takes several days to densify. In contrast, robocasting is a freeform fabrication technique developed at Sandia National Labs that utilizes particulate slurries but does not require organic binders. Since binder burnout is not an issue, a dense ceramic part maybe freeformed, dried, and sintered in less than 24 hours. In some regards, robocasting is analogous to the ceramic near-net-shape processing techniques, slip casting and gel casting [6]; however, robocasting is moldless and fabrication times can be quicker.
Device penetration into media such as metal and soil is an application of some engineering interest. Often, these devices contain internal components and it is of paramount importance that all significant components survive the severe environment that accompanies the penetration event. In addition, the system must be robust to perturbations in its operating environment, some of which exhibit behavior which can only be quantified to within some level of uncertainty. In the analysis discussed herein, methods to address the reliability of internal components for a specific application system are discussed. The shock response spectrum (SRS) is utilized in conjunction with the Advanced Mean Value (AMV) and Response Surface methods to make probabilistic statements regarding the predicted reliability of internal components. Monte Carlo simulation methods are also explored.
Previous applications of DF theory required a single chain Monte Carlo simulation to be performed within a self-consistent loop. In the current work, a methodology is developed which permits the simulation to be taken out of the iterative loop. Consequently, the calculation of the self-consistent, medium-induced-potential, or field, is decoupled from the simulation. This approach permits different densities, different forms of U{sub M}(r), and different wall-polymer interactions to be investigated from a single Monte Carlo simulation. The increase in computational efficiency is immense.
In the world of computers a trusted object is a collection of possibly-sensitive data and programs that can be allowed to reside and execute on a computer, even on an adversary's machine. Beyond the scope of one computer we believe that network-based agents in high-consequence and highly reliable applications will depend on this approach, and that the basis for such objects is what we call ''faithful execution.''
Minimum-time trajectory tracking of an under-actuated mechanical system called the Acrobot is presented. The success of the controller is demonstrated by the fact that the tracking error is reduced by more than an order of magnitude when compared to the open-loop system response. The control law is obtained by linearizing the system about the nominal trajectory and applying differential dynamic programming to the resulting linear time-varying system, while using a weighted sum of the state-deviation and input-deviation as the cost function.
A study to characterize the low-temperature reactive processes for o-AP and an AP/HTPB-based propellant (class 1.3) is being conducted in the laboratory using the techniques of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and scanning electron microscopy (SEM). The results presented in this paper are a follow up of the previous work that showed the overall decomposition to be complex and controlled by both physical and chemical processes. The decomposition is characterized by the occurrence of one major event that consumes up to {approx}35% of the AP, depending upon particle size, and leaves behind a porous agglomerate of AP. The major gaseous products released during this event include H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl. The recent efforts provide further insight into the decomposition processes for o-AP. The temporal behaviors of the gas formation rates (GFRs) for the products indicate that the major decomposition event consists of three chemical channels. The first and third channels are affected by the pressure in the reaction cell and occur at the surface or in the gas phase above the surface of the AP particles. The second channel is not affected by pressure and accounts for the solid-phase reactions characteristic of o-AP. The third channel involves the interactions of the decomposition products with the surface of the AP. SEM images of partially decomposed o-AP provide insight to how the morphology changes as the decomposition progresses. A conceptual model has been developed, based upon the STMBMS and SEM results, that provides a basic description of the processes. The thermal decomposition characteristics of the propellant are evaluated from the identities of the products and the temporal behaviors of their GFRs. First, the volatile components in the propellant evolve from the propellant as it is heated. Second, the hot AP (and HClO{sub 4}) at the AP-binder interface oxidize the binder through reactions that preferentially strip the hydrogen from the binder and yield HCl and H{sub 2}O with some oxidation of the carbon from the binder. Third, the o-AP in the propellant decomposes in the same manner as in neat o-AP. Finally, AP-derived gaseous products interact with other ingredients in the propellant.
A set of linear and nonlinear stability analysis tools have been developed to analyze steady state incompressible flows in 3D geometries. The algorithms have been implemented to be scalable to hundreds of parallel processors. The linear stability of steady state flows are determined by calculating the rightmost eigenvalues of the associated generalize eigenvalue problem. Nonlinear stability is studied by bifurcation analysis techniques. The boundaries between desirable and undesirable operating conditions are determined for buoyant flow in the rotating disk CVD reactor.
Mesa and planar GaN Schottky diode rectifiers with reverse breakdown voltages (V{sub RB}) up to 550V and >2000V, respectively, have been fabricated. The on-state resistance, R{sub ON}, was 6m{Omega}{center_dot} cm{sup 2} and 0.8{Omega}cm{sup 2}, respectively, producing figure-of-merit values for (V{sub RB}){sup 2}/R{sub ON} in the range 5-48 MW{center_dot}cm{sup -2}. At low biases the reverse leakage current was proportional to the size of the rectifying contact perimeter, while at high biases the current was proportional to the area of this contact. These results suggest that at low reverse biases, the leakage is dominated by the surface component, while at higher biases the bulk component dominates. On-state voltages were 3.5V for the 550V diodes and {ge}15 for the 2kV diodes. Reverse recovery times were <0.2{micro}sec for devices switched from a forward current density of {approx}500A{center_dot}cm{sup -2} to a reverse bias of 100V.
The topic of Privacy is complex, multi-faceted, and often emotionally laden. This paper will cover the following topics, in an effort to further understanding of federal regulations and activities, the balancing act that necessarily occurs in business, and what role a records manager can play. The topics are: Definitions; The Privacy Act; ''Private'' companies; Potential areas of concern; Expectations; Corporate responsibilities; Case studies; and Records Manager's role.
The non-linear stress-strain relation for crosslinked polymer networks is studied using molecular dynamics simulations. Previously we demonstrated the importance of trapped entanglements in determining the elastic and relaxational properties of networks. Here we present new results for the stress versus strain for both dry and swollen networks. Models which limit the fluctuations of the network strands like the tube model are shown to describe the stress for both elongation and compression. For swollen networks, the total modulus is found to decrease like (V{sub o}/V){sup 2/3} and goes to the phantom model result only for short strand networks.
Predicting the properties of nonequilibrium systems from molecular simulations is a growing area of interest. One important class of problems involves steady state diffusion. To study these cases, a grand canonical molecular dynamics approach has been developed by Heffelfinger and van Swol [J. Chem. Phys., 101, 5274 (1994)]. With this method, the flux of particles, the chemical potential gradients, and density gradients can all be measured in the simulation. In this paper, we present a complementary approach that couples a nonlocal density functional theory (DFT) with a transport equation describing steady-state flux of the particles. We compare transport-DFT predictions to GCMD results for a variety of ideal (color diffusion), and nonideal (uphill diffusion and convective transport) systems. In all cases excellent agreement between transport-DFT and GCMD calculations is obtained with diffusion coefficients that are invariant with respect to density and external fields.
Magnesium vanadates are potentially important catalytic materials for the conversion of alkanes to alkenes via oxidative dehydrogenation. However, little is known about the active sites at which the catalytic reactions take place. It may be possible to obtain a significant increase in the catalytic efficiency if the effects of certain material properties on the surface reactions could be quantified and optimized through the use of appropriate preparation techniques. Given that surface reactivity is often dependent upon surface structure and that the atomic level structure of the active sites in these catalysts is virtually unknown, we desire thin film samples consisting of a single magnesium vanadate phase and a well defined crystallographic orientation in order to reduce complexity and simplify the study of active sites. We report on the use of reactive RF sputter deposition to fabricate very highly oriented, stoichiometric Mg{sub 3}(VO{sub 4}){sub 2} thin films for use in these surface analysis studies. Deposition of samples onto amorphous substrates resulted in very poor crystallinity. However, deposition of Mg{sub 3}(VO{sub 4}){sub 2} onto well-oriented, lattice-matched thin film ''seed'' layers such as Ti(0001), Au(111), or Pt(111) resulted in very strong preferential (042) crystallographic orientation (pseudo-hexagonal oxygen planes parallel to the substrate). This strong preferential growth of the Mg{sub 3}VO{sub 4}{sub 2} suggests epitaxial (single-crystal) growth of this mixed metal oxide on the underlying metal seed layer. The effects of the seed layer material, deposition temperature, and post-deposition reactive treatments on thin film properties such as stoichiometry, crystallographic orientation, and chemical interactions will be discussed.
A range of pore diffusivities, D{sub p}, is implied by the high degree of pore-scale heterogeneity observed in core samples of the Culebra (dolomite) Member of the Rustler formation, NM. Earlier tracer tests in the culebra at the field-scale have confirmed significant heterogeneity in diffusion rate coefficients (the combination of D{sub p} and matrix block size). In this study, expressions for solute diffusion in the presence of multiple simultaneous matrix diffusivities are presented and used to model data from eight laboratory-scale diffusion experiments performed on five Culebra samples. A lognormal distribution of D{sub p} is assumed within each of the lab samples. The estimated standard deviation ({sigma}{sub d}) of In(D{sub p}) within each sample ranges from 0 to 1, with most values lying between 0.5 and 1. The variability over all samples leads to a combined {sigma}{sub d} in the range of 1.0 to 1.2, which appears to be consistent with a best-fit statistical distribution of formation factor measurements for similar Culebra samples. A comparison of the estimation results to other rock properties suggests that, at the lab-scale, the geometric mean of D{sub p} increases with bulk porosity and the quantity of macroscopic features such as vugs and fractures. However, {sigma}{sub d} appears to be determined by variability within such macroscopic features and/or by micropore-scale heterogeneity. In addition, comparison of these experiments to those at larger spatial scales suggests that increasing sample volume results in an increase in {sigma}{sub d}.
The processes of defining managerial roles and providing for delegation of authority are essential to any enterprise. At most large organizations, these processes are defined in policy manuals and through sets of standard operating procedures for many, if not all, business and administrative functions. Many of these staff-initiated, administrative functions require the routing of documents for approval to one or more levels of management. These employee-oriented, back office types of workflows tend to require more flexibility in determining to whom these documents should go to, while, at the same time, providing the responsible parties with the flexibility to delegate their approval authority or allow others to review their work. Although this practice is commonplace in manual, paper-based processes that exist in many organizations, it is difficult to provide the same flexibility in the more structured, electronic-based, workflow systems.
In 1979, six years after selecting the Delaware Basin as a potential disposal area, Congress authorized the U.S. Department of Energy to build the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, as a Research and development facility for the safe management storage, and disposal of waste contaminated with transuranic radioisotopes. In 1998, 19 years after authorization and after site selection, the U.S. Environmental Protection Agency (EPA) certified that the WIPP disposal system complied with its regulations. The EPA's decision was primarily based on the results from a performance. assessment conducted in 1996, which is summarized in this special issue of Reliability Engineering and System Safety. This performance assessment was the culmination of four preliminary performance assessments conducted between 1989 and 1992. This paper provides a historical setting and context for how the performance of the deep geologic repository at the WIPP was analyzed. Also included is background on political forces acting on the project.
Paul McWhorter, Deputy Director for of the Microsystems Center at Sandia National Laboratories, discusses the potential of surface micromachining. A vision of the possibilities of intelligent Microsystems for the future is presented along with descriptions of several possible applications. Applications that are just around the corner and some that maybe quite a ways down the road but have a clear development path to their realization. Microsystems will drive the next silicon revolution.
We are continuing to study the suitability of modified thermal-battery technology as a potential power source for geothermal borehole applications. Previous work focused on the LiSi/FeS{sub 2} couple over a temperature range of 350 C to 400 C with the LiBr-KBr-LiF eutectic, which melts at 324.5 C. In this work, the discharge processes that take place in LiSi/CsBr-LiBr-KBr eutectic/FeS{sub 2} thermal cells were studied at temperatures between 250 C and 400 C using pelletized cells with immobilized electrolyte. The CsBr-LiBr-KBr eutectic was selected because of its lower melting point (228.5 C). Incorporation of a quasi-reference electrode allowed the determination of the relative contribution of each electrode to the overall cell polarization. The results of single-cell tests and limited battery tests are presented, along with preliminary data for battery stacks tested in a simulated geothermal borehole environment.
The performance of Li-alloy/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} systems was studied over a temperature range of 250 C to 300 C, for possible use as a power source for geothermal borehole applications. Single cells were discharged at current densities of 15.8 and 32.6 mA/cm{sup 2} using Li-Si and Li-Al anodes. When tested in 5-cell batteries, the Li-Si/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} system exhibited thermal runaway. Thermal analytical tests showed that the Ag{sub 2}CrO{sub 4} cathode reacted exothermically with the electrolyte on activation. Consequently, this system would not be practical for the envisioned geothermal borehole applications.
The electronic transport properties of Cadmium Zinc Telluride (CZT) determine the charge collection efficiency (i.e. the signal quality) of CZT detectors. These properties vary on both macroscopic and microscopic scale and depend on the presence of impurities and defects introduced during the crystal growth. Ion Beam Induced Charge Collection (IBICC) is a proven method to measure the charge collection efficiency. Using an ion microbeam, the charge collection efficiency can be mapped with submicron resolution, and the map of electronic properties (such as drift length) can be calculated from the measurement. A more sophisticated version of IBICC, the Time Resolved IBICC (TRIBICC) allows them to determine the mobility and the life time of the charge carriers by recording and analyzing the transient waveform of the detector signal. Furthermore, lateral IBICC and TRIBICC can provide information how the charge collection efficiency depends on the depth where the charge carriers are generated. This allows one to deduce information on the distribution of the electric field and transport properties of the charge carriers along the detector axis. IBICC and TRIBICC were used at the Sandia microbeam facility to image electronic properties of several CZT detectors. From the lateral TRIBICC measurement the electron and hole drift length profiles were calculated.
A motion planning strategy was developed and implemented to generate motion control instructions from solid model data for controlling a robotically driven solid free-form fabrication process. The planning strategy was tested using a PUMA type robot arm integrated into a LENS{trademark} (Laser Engineered Net Shape) system. Previous systems relied on a series of x, y, and z stages, to provide a minimal coordinated motion control capability. This limited the complexity of geometries that could be constructed. With the coordinated motion provided by a robotic arm, the system can produce three dimensional parts by ''writing'' material onto any face of existing material. The motion planning strategy relied on solid model geometry evaluation and exploited robotic positioning flexibility to allow the construction of geometrically complex parts. The integration of the robotic manipulator into the LENS{trademark} system was tested by producing metal parts directly from CAD models.
The emerging field of haptics represents a fundamental change in human-computer interaction (HCI), and presents solutions to problems that are difficult or impossible to solve with a two-dimensional, mouse-based interface. To take advantage of the potential of haptics, however, innovative interaction techniques and programming environments are needed. This paper describes FGB (FLIGHT GHUI Builder), a programming tool that can be used to create an application specific graphical and haptic user interface (GHUI). FGB is itself a graphical and haptic user interface with which a programmer can intuitively create and manipulate components of a GHUI in real time in a graphical environment through the use of a haptic device. The programmer can create a GHUI without writing any programming code. After a user interface is created, FGB writes the appropriate programming code to a file, using the FLIGHT API, to recreate what the programmer created in the FGB interface. FGB saves programming time and increases productivity, because a programmer can see the end result as it is created, and FGB does much of the programming itself. Interestingly, as FGB was created, it was used to help build itself. The further FGB was in its development, the more easily and quickly it could be used to create additional functionality and improve its own design. As a finished product, FGB can be used to recreate itself in much less time than it originally required, and with much less programming. This paper describes FGB's GHUI components, the techniques used in the interface, how the output code is created, where programming additions and modifications should be placed, and how it can be compared to and integrated with existing API's such as MFC and Visual C++, OpenGL, and GHOST.
Engineered Cu-rich islands were fabricated on an Al thin film to investigate pit initiation mechanisms at noble particles. X-ray photoelectron spectroscopy confirms that the thin film Cu-rich islands interdiffuse with the underlying Al substrate to form Al{sub 2}Cu islands. The defect arrays exhibit open circuit potential fluctuations whose magnitude and frequency increase as defect spacing decreases for constant island size and cathode/anode ratio. Post-exposure examination by energy dispersive spectroscopy (EDS) shows that the Al beneath the Cu-rich island dissolves with a crevice geometry. Engineered Al islands fabricated under identical conditions do not induce crevice corrosion in the vicinity of the Al defects. These results suggest that the Al dissolution is driven by the galvanic coupling between the noble island and matrix, and/or by a local change in chemistry, rather than by the presence of a defective oxide in the vicinity of the island.
Simulation of viscous three-dimensional fluid flow typically involves a large number of unknowns. When free surfaces are included, the number of unknowns increases dramatically. Consequently, this class of problem is an obvious application of parallel high performance computing. We describe parallel computation of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact fines. The Galerkin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-static solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of unknowns. Other issues discussed are the proper constraints appearing along the dynamic contact line in three dimensions. Issues affecting efficient parallel simulations include problem decomposition to equally distribute computational work among a SPMD computer and determination of robust, scalable preconditioners for the distributed matrix systems that must be solved. Solution continuation strategies important for serial simulations have an enhanced relevance in a parallel coquting environment due to the difficulty of solving large scale systems. Parallel computations will be demonstrated on an example taken from the coating flow industry: flow in the vicinity of a slot coater edge. This is a three dimensional free surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another region. As such, a significant fraction of the computational time is devoted to processing boundary data. Discussion focuses on parallel speed ups for fixed problem size, a class of problems of immediate practical importance.
We report progress of a continuing effort to characterize and simulate the response of energetic materials (EMs), primarily HMX-based, under conditions leading to cookoff. Our experiments include mechanical-effects testing of HMX and FIMX with binder at temperatures nearing decomposition thresholds. Additional experiments have focused on decomposition of these EMs under confinement, measuring evolution of gas products and observing the effect of pressurization on the solid. Real-time measurements on HMX show abrupt changes that maybe due to sudden void collapse under increasing load. Postmortem examination shows significant internal damage to the pellets, including voids and cracks. These experiments have been used to help develop a constitutive model for pure HMX. Unconfined uniaxial compression tests were performed on HMX and LX-14 to examine the effect of binders on the deviatoric strength of EM pellets, and to assess the need of including deviatoric terms in the model. A scale-up experiment will be described that is being developed to validate the model and provide additional diagnostics.
The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is clearly linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to a predictive safety model for HMX and HMX-containing EMs. We report work in progress on monitoring the phase transition with real-time Raman spectroscopy and ultrasonic measurements aimed towards a better understanding of physical properties through the phase transition. HMX samples were confined with minimal free volume.in a cell with constant volume. The cell was heated at a controlled rate and real-time Raman spectroscopic or ultrasonic measurements were performed. Raman spectroscopy provides a clear distinction between the two phases because the vibrational transitions of the molecule change with confirmational changes associated with the phase transition. Ultrasonic time-of-flight measurements provide an additional method of distinguishing the two phases because the sound speed through the material changes with the phase transition. Ultrasonic attenuation measurements also provide information about microstructural changes such as increased porosity due to evolution of gaseous decomposition products.
Polycrystalline diamond compact (PDC) bits have yet to be routinely applied to drilling the hard-rock formations characteristic of geothermal reservoirs. Most geothermal production wells are currently drilled with tungsten-carbide-insert roller-cone bits. PDC bits have significantly improved penetration rates and bit life beyond roller-cone bits in the oil and gas industry where soft to medium-hard rock types are encountered. If PDC bits could be used to double current penetration rates in hard rock geothermal well-drilling costs could be reduced by 15 percent or more. PDC bits exhibit reasonable life in hard-rock wear testing using the relatively rigid setups typical of laboratory testing. Unfortunately, field experience indicates otherwise. The prevailing mode of failure encountered by PDC bits returning from hard-rock formations in the field is catastrophic, presumably due to impact loading. These failures usually occur in advance of any appreciable wear that might dictate cutter replacement. Self-induced bit vibration, or ''chatter'', is one of the mechanisms that may be responsible for impact damage to PDC cutters in hard-rock drilling. Chatter is more severe in hard-rock formations since they induce significant dynamic loading on the cutter elements. Chatter is a phenomenon whereby the drillstring becomes dynamically unstable and excessive sustained vibrations occur. Unlike forced vibration, the force (i.e., weight on bit) that drives self-induced vibration is coupled with the response it produces. Many of the chatter principles derived in the machine tool industry are applicable to drilling. It is a simple matter to make changes to a machine tool to study the chatter phenomenon. This is not the case with drilling. Chatter occurs in field drilling due to the flexibility of the drillstring. Hence, laboratory setups must be made compliant to observe chatter.
Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a feasible prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.
We have conducted a fretting research project using MIL-L-87177 and CLT: X-10 lubricants on Nano-miniature connectors. When they were fretted without lubricant, individual connectors first exceeded our 0.5 ohm failure criteria from 2,341 to 45,238 fretting cycles. With additional fretting, their contact resistance increased to more than 100,000 ohms. Unmodified MIL-L-87177 lubricant delayed the onset of first failure to between 430,000 and over 20,000,000 fretting cycles. MIL-L-87177 modified by addition of Teflon powder delayed first failure to beyond 5 million fretting cycles. Best results were obtained when Teflon was used and also when both the straight and modified lubricants were poured into and then out of the connector. CLT: X-10 lubricant delayed the onset of first failure to beyond 55 million cycles in one test where a failure was actually observed and to beyond 20 million cycles in another that was terminated without failure. CLT: X-10 recovered an unlubricated connector driven deeply into failure, with six failed pins recovering immediately and four more recovering during an additional 420 thousand fretting cycles. MIL-L-87177 was not able to recover a connector under similar conditions.
Modern wind turbines are fatigue critical machines that are typically used to produce electrical power from the wind. The materials used to construct these machines are subjected to a unique loading spectrum that contains several orders of magnitude more cycles than other fatigue critical structures, e.g., an airplane. To facilitate fatigue designs, a large database of material properties has been generated over the past several years that is specialized to materials typically used in wind turbines. In this paper, I review these fatigue data. Major sections are devoted to the properties developed for wood, metals (primarily aluminum) and fiberglass. Special emphasis is placed on the fiberglass discussion because this material is current the material of choice for wind turbine blades. The paper focuses on the data developed in the U.S., but cites European references that provide important insights.
Parallel microscopic experimentation (the combinatorial approach often used in solid-state science) was applied to characterize atmospheric copper corrosion behavior. Specifically, this technique permitted relative sulfidation rates to be determined for copper containing different levels of point defects and impurities (In, Al, O, and D). Corrosion studies are inherently difficult because of complex interactions between material interfaces and the environment. The combinatorial approach was demonstrated using micron-scale Cu lines that were exposed to a humid air environment containing sub-ppm levels of H{sub 2}S. The relative rate of Cu{sub 2}S growth was determined by measuring the change in resistance of the line. The data suggest that vacancy trapping by In and Al impurities slow the sulfidation rate. Increased sulfidation rates were found for samples containing excess point defects or deuterium. Furthermore, the sulfidation rate of 14 {micro}m wide Cu lines was increased above that for planar films.
A methodology has been established to predict the effect of atmospheric corrosion on the reliability of plastic encapsulated microelectronic (PEM) devices. New experimental techniques were developed to directly characterize the Al/Au wirebond interface where corrosion primarily occurs. A deterministic empirical model describing wirebond degradation as a function of environmental conditions was generated. To demonstrate how this model can be used to determine corrosion effects on device reliability, a numerical simulation was performed on a three-lead voltage reference device. Surface reaction rate constants, environmental variables and the defect characteristics of the encapsulant were treated as distributed parameters. A Sandia-developed analytical framework (CRAX{trademark}) was used to include uncertainty in the analysis and directly calculate reliability.
A dependence of elastic response on the stress-state of a thin film has been demonstrated using the interfacial force microscope (IFM). Indentation response was measured as a function of the applied biaxial stress-state for 100 nm thick Au films. An increase in measured elastic modulus with applied compressive stress, and a decrease with applied tensile stress was observed. Measurements of elastic modulus before and after applying stress were identical indicating that the observed change in response is not due to a permanent change in film properties.
This report focuses Sandia National Laboratories' effort to create high-temperature logging tools for geothermal applications not requiring heat-shielding. Tool electronics can operate up to 300 C with a few limiting components operating to 250 C. Second generation electronics are needed to increase measurement accuracy and extend the operating range to 300 and then 350 C are identified. Custom development of high-temperature batteries and assembling techniques are touched on. Outcomes of this work are discussed and new directions for developing high-temperature industry are suggested.
A high-speed data link that would provide dramatically faster communication from downhole instruments to the surface and back again has the potential to revolutionize deep drilling for geothermal resources through Diagnostics-While-Drilling (DWD). Many aspects of the drilling process would significantly improve if downhole and surface data were acquired and processed in real-time at the surface, and used to guide the drilling operation. Such a closed-loop, driller-in-the-loop DWD system, would complete the loop between information and control, and greatly improve the performance of drilling systems. The main focus of this program is to demonstrate the value of real-time data for improving drilling. While high-rate transfer of down-hole data to the surface has been accomplished before, insufficient emphasis has been placed on utilization of the data to tune the drilling process to demonstrate the true merit of the concept. Consequently, there has been a lack of incentive on the part of industry to develop a simple, low-cost, effective high-speed data link. Demonstration of the benefits of DWD based on a high-speed data link will convince the drilling industry and stimulate the flow of private resources into the development of an economical high-speed data link for geothermal drilling applications. Such a downhole communication system would then make possible the development of surface data acquisition and expert systems that would greatly enhance drilling operations. Further, it would foster the development of downhole equipment that could be controlled from the surface to improve hole trajectory and drilling performance. Real-time data that would benefit drilling performance include: bit accelerations for use in controlling bit bounce and improving rock penetration rates and bit life; downhole fluid pressures for use in the management of drilling hydraulics and improved diagnosis of lost circulation and gas kicks; hole trajectory for use in reducing directional drilling costs; and downhole weight-on-bit and drilling torque for diagnosing drill bit performance. In general, any measurement that could shed light on the downhole environment would give us a better understanding of the drilling process and reduce drilling costs.
Using slim holes (diameter < 15 cm) for geothermal exploration and small-scale power production can produce significant cost savings compared to conventional rotary-drilling methods. In addition, data obtained from slim holes can be used to lower the risks and costs associated with the drilling and completion of large-diameter geothermal wells. As a prime contractor to the U.S. Department of Energy (DOE), Sandia National Laboratories has worked with industry since 1992 to develop and promote drilling, testing, and logging technology for slim holes. This paper describes the current status of work done both in-house and contracted to industry. It focuses on drilling technology, case histories of slimhole drilling projects, data collection and rig instrumentation, and high-temperature logging tools.
Coffinite (USiO{sub 4}) has been found in numerous sedimentary and hydrothermal environments including those considered as natural analogues of nuclear waste repositories. Scanning electron microscopy (SEM) and analytical electron microscopy (AEM) studies have been conducted on a uraninite sample from a U-deposit in Canada. It is observed that the uraninite (UO{sub 2+x}) is replaced by coffinite (U[SiO{sub 4}].nH{sub 2}O) and the replacing coffinite coexists with quartz. The TEM study shows {alpha}-recoil damage, lattice distortion, and low-angle boundaries among neighboring uraninite domains. Coffinitization seems more closely associated with {alpha}-recoil-damaged uraninite areas. Electron energy-loss spectroscopy (EELS) spectrum indicates that the ratio of U(+6)U(+4) in the uraninite is about 2/3, while the coffinite is dominated by U(+4). A thermodynamic calculation indicates that coffinitization can take place most likely at temperatures below 130 C if dissolved silica concentrations are limited by amorphous silica mineral phase. In a sufficiently high silica concentration environment, coffinite can form under the oxygen fugacity of 10{sup -65}-10{sup -55} atm. The equilibrium model, however, is not able to explain the coexistence of coffinite with quartz. A kinetic model that takes account of Ostwald processes is thus proposed. The kinetic model indicates that the presence of U(+6) in uraninite and the enhanced uraninite dissolution rate may be an important factor controlling uraninite coffinitization.